报告：Multiscale Modelling of the Mechanical Behavior of Nylon6/Silica Nanocomposite
报告人： Khanooki Saeid PhD
报告时间：2014年9月19日（周五）上午10:30
报告地点：新主楼C706
报告摘要：
Semi-crystalline polymers are the most used thermoplastic polymers. Their mechanical properties as well as the effect of nanoparticles on these properties in nanocomposites based on semi-crystalline polymers have been of interest to researchers. The properties of these Nanocomposites can be studied considering the polymer phase as a continuous medium or one can also consider different constituents of the polymer. These polymers consist of two phases – the randomly oriented chains called amorphous and the crystalline phase with ordered parallel chains. The mechanical properties of these two phases have been modeled using Molecular Dynamics (MD) and Density Functional Theory (DFT) methods. The formation of the crystalline phase – crystallization – starts from seeding points in the polymer melt and propagates radially from these points generating voronoi cells. These seeding points are located randomly for a pure polymer whereas in polymer nanocomposite the nanoparticles act as seeding points; therefore, there is a higher chance for formation of voronoi cells in nanocomposites. To compare the simulation results with the experimentally measured behavior in macro scale, the properties of each phase of polymer and nanoparticle as well as their interface are incorporated in a micro-scale Finite Element Model.
报告人简介：
I, Saeid Arabnejad Khanooki, PhD of National University of Singapore (NUS), was born in south-east of Iran in 1984. I did my undergraduate studies in Mechanical Engineering in University of Kerman and ended it up with first class honor. Right after, I started my master of science in Amirkabir University (Tehran polytechnic) where my research was focused on stress wave propagation in non-linear visco-elastic structures. We developed a finite element code for this project in our group. After my master and before starting the PhD, I had been working as a researcher for one year in Center for Science, High Technology & Environmental Science focusing on higher-continuity finite element methods. In 2010, I was awarded a PhD scholarship by the Agency of Science, technology and research (A*Star) in NUS. During my PhD I had been trying to model the mechanical behavior of Nylon6/Silica nanocomposite using a multiscale approach connecting the properties from electronic and molecular scale up to the macro-scale.
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